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Information card for entry 4512608
Preview
| Coordinates | 4512608.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H76 Cl2 Dy4 Mn2 N6 O22 |
|---|---|
| Calculated formula | C66 H76 Cl2 Dy4 Mn2 N6 O22 |
| SMILES | C[O]1c2cccc3c2[O]2[Dy]456781[O]1c9c(C=[N]%10N=C%11[O]%12[Dy]%13%14%151%10(OC(=[O]5)C(C)(C)C)[O]=C(O[Dy]15%10%16%17([O](C)c%18cccc%19c%18[O]1[Mn]%12([N](=C%19)c1ccccc%111)(Cl)[O]%13%16)[O]1c%11c(C=[N]%12N=C%13[O]%16[Dy]1%12([O]=C(O%10)C(C)(C)C)(OC(=[O]6)C(C)(C)C)([O]7[Mn]2%16([N](=C3)c1ccccc%131)Cl)([OH]%14%17)[OH]8%15)cccc%11[O]5C)C(C)(C)C)cccc9[O]4C |
| Title of publication | Chair-Shaped MnII2LnIII4(Ln = Gd, Tb, Dy, Ho) Heterometallic Complexes Assembled from a Tricompartmental Aminobenzohydrazide Ligand |
| Authors of publication | Chakraborty, Amit; Bag, Prasenjit; Goura, Joydeb; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 2 |
| Pages of publication | 848 |
| a | 13.241 ± 0.005 Å |
| b | 14.275 ± 0.005 Å |
| c | 14.89 ± 0.005 Å |
| α | 103.847 ± 0.005° |
| β | 110.331 ± 0.005° |
| γ | 101.321 ± 0.005° |
| Cell volume | 2438.7 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0365 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0698 |
| Weighted residual factors for all reflections included in the refinement | 0.0719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179674 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/26. |
4512608.cif |
| 132758 | 2015-03-04 | cif/ Updating files of 4512606, 4512607, 4512608, 4512609 Original log message: Adding full bibliography for 4512606--4512609.cif. |
4512608.cif |
| 130359 | 2015-02-04 | cif/ Adding structures of 4512606, 4512607, 4512608, 4512609 via cif-deposit CGI script. |
4512608.cif |
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Users of the data should acknowledge the original authors of the
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